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Searched refs:method_name_id (Results 1 – 20 of 20) sorted by relevance

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dforce_env_types.F136 INTEGER :: id_nr, ref_count, in_use, method_name_id component
306 method_name_id, root_section, mixed_env, embed_env) argument
327 INTEGER, INTENT(out), OPTIONAL :: method_name_id local
420 IF (PRESENT(method_name_id)) method_name_id = force_env%method_name_id
622 method_name_id, additional_potential) argument
628 INTEGER, OPTIONAL :: method_name_id local
657 IF (PRESENT(method_name_id)) THEN
658 force_env%method_name_id = method_name_id
H A Df77_interface.F566 INTEGER :: handle, i, ierr2, iforce_eval, isubforce_eval, k, method_name_id, my_group, & local
719 CALL section_vals_val_get(force_env_sections, "METHOD", i_val=method_name_id, &
721 IF ((method_name_id /= do_mixed) .AND. (method_name_id /= do_embed)) &
727 IF (method_name_id .EQ. do_mixed) THEN
740 IF (method_name_id .EQ. do_embed) THEN
768 CALL section_vals_val_get(force_env_section, "METHOD", i_val=method_name_id)
770 IF (method_name_id == do_qmmm) THEN
774 method_name_id = do_qmmmx ! QMMM Force-Mixing has its own (hidden) method_id
777 SELECT CASE (method_name_id)
851 "Invalid METHOD <"//TRIM(enum_i2c(enum, method_name_id))// &
H A Dtopology_coordinate_util.F104 method_name_id, n, natom local
375 CALL section_vals_val_get(force_env_section, "METHOD", i_val=method_name_id)
378 IF ((method_name_id == do_fist) .AND. (.NOT. disable_exclusion_lists)) THEN
688 CALL section_vals_val_get(force_env_section, "METHOD", i_val=method_name_id)
689 IF (method_name_id == do_fist) THEN
720 IF (method_name_id == do_fist) THEN
H A Dmscfg_methods.F431 method_name_id, scf_guess_type local
445 CALL section_vals_val_get(force_env_section, "METHOD", i_val=method_name_id)
447 IF (method_name_id .EQ. do_qs) THEN
H A Dbsse.F242 INTEGER :: i, ir, isize, j, k, method_name_id, & local
260 CALL section_vals_val_get(force_env_section, "METHOD", i_val=method_name_id)
318 IF (method_name_id == do_qs) THEN
H A Denvironment.F498 INTEGER :: cpuid, cpuid_static, i_diag, i_fft, iforce_eval, method_name_id, n_rep_val, & local
609 CALL section_vals_val_get(force_env_sections, "METHOD", i_val=method_name_id)
610 SELECT CASE (method_name_id)
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dforce_env_types.F136 INTEGER :: id_nr, ref_count, in_use, method_name_id component
306 method_name_id, root_section, mixed_env, embed_env) argument
327 INTEGER, INTENT(out), OPTIONAL :: method_name_id local
420 IF (PRESENT(method_name_id)) method_name_id = force_env%method_name_id
622 method_name_id, additional_potential) argument
628 INTEGER, OPTIONAL :: method_name_id local
657 IF (PRESENT(method_name_id)) THEN
658 force_env%method_name_id = method_name_id
H A Df77_interface.F568 INTEGER :: handle, i, ierr2, iforce_eval, isubforce_eval, k, method_name_id, my_group, & local
721 CALL section_vals_val_get(force_env_sections, "METHOD", i_val=method_name_id, &
723 IF ((method_name_id /= do_mixed) .AND. (method_name_id /= do_embed)) &
729 IF (method_name_id .EQ. do_mixed) THEN
742 IF (method_name_id .EQ. do_embed) THEN
770 CALL section_vals_val_get(force_env_section, "METHOD", i_val=method_name_id)
772 IF (method_name_id == do_qmmm) THEN
776 method_name_id = do_qmmmx ! QMMM Force-Mixing has its own (hidden) method_id
779 SELECT CASE (method_name_id)
853 "Invalid METHOD <"//TRIM(enum_i2c(enum, method_name_id))// &
H A Dtopology_coordinate_util.F104 method_name_id, n, natom local
375 CALL section_vals_val_get(force_env_section, "METHOD", i_val=method_name_id)
378 IF ((method_name_id == do_fist) .AND. (.NOT. disable_exclusion_lists)) THEN
688 CALL section_vals_val_get(force_env_section, "METHOD", i_val=method_name_id)
689 IF (method_name_id == do_fist) THEN
720 IF (method_name_id == do_fist) THEN
H A Dmscfg_methods.F431 method_name_id, scf_guess_type local
445 CALL section_vals_val_get(force_env_section, "METHOD", i_val=method_name_id)
447 IF (method_name_id .EQ. do_qs) THEN
H A Dbsse.F242 INTEGER :: i, ir, isize, j, k, method_name_id, & local
260 CALL section_vals_val_get(force_env_section, "METHOD", i_val=method_name_id)
318 IF (method_name_id == do_qs) THEN
H A Denvironment.F501 INTEGER :: cpuid, cpuid_static, i_diag, i_fft, iforce_eval, method_name_id, n_rep_val, & local
612 CALL section_vals_val_get(force_env_sections, "METHOD", i_val=method_name_id)
613 SELECT CASE (method_name_id)
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/start/
H A Dcp2k_runs.F309 IF (method_name_id /= do_qs .AND. &
311 method_name_id /= do_qmmm .AND. &
312 method_name_id /= do_mixed .AND. &
313 method_name_id /= do_embed .AND. &
314 method_name_id /= do_fist) &
347 IF (method_name_id /= do_qs) &
352 IF (method_name_id /= do_qs) &
358 IF (method_name_id /= do_qs) &
366 IF (method_name_id /= do_qs .AND. &
367 method_name_id /= do_qmmm) &
[all …]
/dports/science/cp2k-data/cp2k-7.1.0/src/start/
H A Dcp2k_runs.F310 IF (method_name_id /= do_qs .AND. &
312 method_name_id /= do_qmmm .AND. &
313 method_name_id /= do_mixed .AND. &
314 method_name_id /= do_embed .AND. &
315 method_name_id /= do_fist) &
348 IF (method_name_id /= do_qs) &
353 IF (method_name_id /= do_qs) &
359 IF (method_name_id /= do_qs) &
367 IF (method_name_id /= do_qs .AND. &
368 method_name_id /= do_qmmm) &
[all …]
/dports/devel/jsl/jsl-0.3.0/src/liveconnect/
H A Djsj_method.c658 jsid method_name_id, in jsj_ResolveExplicitMethod() argument
677 JS_IdToValue(cx, method_name_id, &method_name_jsval); in jsj_ResolveExplicitMethod()
742 member_descriptor->id = method_name_id; in jsj_ResolveExplicitMethod()
H A Djsj_private.h534 jsid method_name_id,
/dports/lang/spidermonkey17/js/src/liveconnect/
H A Djsj_method.c658 jsid method_name_id, in jsj_ResolveExplicitMethod() argument
677 JS_IdToValue(cx, method_name_id, &method_name_jsval); in jsj_ResolveExplicitMethod()
742 member_descriptor->id = method_name_id; in jsj_ResolveExplicitMethod()
H A Djsj_private.h529 jsid method_name_id,
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/motion/mc/
H A Dmc_types.F1227 method_name_id, nmol_types, stop_num local
1256 CALL section_vals_val_get(force_env_section, "METHOD", i_val=method_name_id)
1257 SELECT CASE (method_name_id)
/dports/science/cp2k-data/cp2k-7.1.0/src/motion/mc/
H A Dmc_types.F1227 method_name_id, nmol_types, stop_num local
1256 CALL section_vals_val_get(force_env_section, "METHOD", i_val=method_name_id)
1257 SELECT CASE (method_name_id)